SCHEMBL22201013

SCHEMBL22201013

C=C(C)C(=O)Oc1ccc(OC(C)(CC)CC)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 5/20 0.50
KMT2A Q03164 3/20 0.47
ATM Q13315 1/20 0.47
MEN1 O00255 1/20 0.36
PPARA Q07869 3/20 0.36
TSHR P16473 2/20 0.36
ABCB11 O95342 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
HTR2A P28223 1/20 0.36
PMP22 Q01453 1/20 0.36
POLB P06746 1/20 0.35
APEX1 P27695 1/20 0.35
HTT P42858 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
PPARG P37231 1/20 0.35
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
THRB P10828 1/20 0.34
ADORA3 P0DMS8 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9999348 0.87 ELANE (0.50) ELANEKMT2AATMMEN1PPARA
SCHEMBL1437007 0.83 ELANE (0.56) ELANEKMT2AATMMEN1PPARA
Butane SCHEMBL15309676 0.81 ELANE (0.61) ELANEKMT2AATMMEN1TSHR
SCHEMBL10033507 0.81 ELANE (0.50) ELANEKMT2AATMMEN1POLB
SCHEMBL16864562 0.81 ELANE (0.50) ELANEKMT2AATMMEN1POLB
SCHEMBL56436 0.80 ELANE (0.69) ELANEKMT2AATMMEN1CYP3A4
SCHEMBL22566523 0.79 ELANE (0.51) ELANEKMT2AATMMEN1PPARA
SCHEMBL12020976 0.78 ELANE (0.48) ELANEKMT2AATMMEN1POLB
SCHEMBL20972860 0.77 ELANE (0.50) ELANEKMT2AATMMEN1PPARA
SCHEMBL19164547 0.77 ELANE (0.47) ELANEKMT2AATMTSHRABCB11

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200218154-A1 RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2020-07-09 US disclosed